ISSN:
0044-2313
Keywords:
Chemistry
;
Inorganic Chemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Description / Table of Contents:
Confromational Behaviour of Dimethyl-2,2-′-dipyridyl Ligands. Crystal Structure of 4,6-Dimethyl-2,2′-dipyridyl-dicarbonylnickel(0)4,6-Dimethyl-2,2′-dipyridyl-dicarbonyl-nickel (O) crystallizes in the monoclinic space group P21/c with the lattice constants a = 7.275 (1)Å, b = 17.954 (4)Å, c = 10.627 (2)Å, β = 105.3° and 4 formula units in the unit cell. The coordination geometry of the nickel atom is tetrahedral. The torsion angle between the pyridyl rings is 4.3°. Quantum chemical calculations with the NDDO method resulted in an energy difference of 87.3 kJ mol-1 between the cis and trans structure of 3, 6-dimethyl-2, 2′-dipyridyl. The preparation of the analogous 3, 6-dimethyl-2, 2′-dipyridyl complex was not successful.
Notes:
4,6-Dimethyl-2,2′-dipyridyl-dicarbonyl-nickel (O) kristalisiert in der monoklinen Raumgruppe P21/c mit den Gitterkonstanten a = 7,275(1) Å, b = 17,954(4) Å, c = 10,627(2) Å, β = 105,3(3)°. Die Zahl der Formeleinheiten beträgt vier. Die Koordinationsgeometrie des Nickels ist tetraedrisch. Dei beiden Pyridinringe sind um 4,3° gegeneinander verdrillt. Quantenchemische NDDO-rechnungen zur konformativen Struktur von 4,6- und 3,6-Dimethyl-2,2′-dipyridyl ergaben für das 3,6-Dimethylsubstituierte Diiminmolekül eine trans-cis-Energiedifferenz von 87,3 kJ mol-1. Eine Darstellung des entsprechenden 3,6-Dimethyl-2,2′-dipyridyl-Komplexes gelang nicht.
Additional Material:
3 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/zaac.19855220316
